N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide

C16H17N3O2 — CID 78961100

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O2/c1-9(15-10(2)19-21-11(15)3)17-16(20)14-8-12-6-4-5-7-13(12)18-14/h4-9,18H,1-3H3,(H,17,20)
InChIKeyONLIJEZNLLYUFN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.26
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 78961100) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID78961100
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O2/c1-9(15-10(2)19-21-11(15)3)17-16(20)14-8-12-6-4-5-7-13(12)18-14/h4-9,18H,1-3H3,(H,17,20)
InChIKeyONLIJEZNLLYUFN-UHFFFAOYSA-N
XLogP3.26
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide (CID 78961100) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide is Cc1noc(C)c1C(C)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is ONLIJEZNLLYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9(15-10(2)19-21-11(15)3)17-16(20)14-8-12-6-4-5-7-13(12)18-14/h4-9,18H,1-3H3,(H,17,20).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 78961100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).